N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine

C16H29NO — CID 62572526

IUPACN-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine
SMILESCC1CC=CCC1COCCCNC1CCCC1
InChIInChI=1S/C16H29NO/c1-14-7-2-3-8-15(14)13-18-12-6-11-17-16-9-4-5-10-16/h2-3,14-17H,4-13H2,1H3
InChIKeyAXBUGBKOZDRRKN-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.53
Rot. Bonds7

About N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine

N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine (PubChem CID 62572526) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine
PubChem CID62572526
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine
SMILESCC1CC=CCC1COCCCNC1CCCC1
InChIInChI=1S/C16H29NO/c1-14-7-2-3-8-15(14)13-18-12-6-11-17-16-9-4-5-10-16/h2-3,14-17H,4-13H2,1H3
InChIKeyAXBUGBKOZDRRKN-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 71069597
CID 71069597
CID 123759937
CID 123759937
CID 170017439
CID 170017439
CID 173551440
CID 173551440
CID 11921213
CID 11921213
CID 11921214
CID 11921214
CID 11921215
CID 11921215
CID 11921216
CID 11921216
CID 16350000
CID 16350000
CID 18557370
CID 18557370
CID 18557371
CID 18557371
CID 18557372
CID 18557372

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine?
The IUPAC name of N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine (CID 62572526) is N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine.
What is the SMILES notation for N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine?
The canonical SMILES for N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine is CC1CC=CCC1COCCCNC1CCCC1.
What is the InChIKey of N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine?
The InChIKey is AXBUGBKOZDRRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-14-7-2-3-8-15(14)13-18-12-6-11-17-16-9-4-5-10-16/h2-3,14-17H,4-13H2,1H3.
What are the key properties of N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine?
N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine has a molecular weight of 251.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclopentanamine is sourced from PubChem (CID 62572526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).